IFLAB-ZINC03865747 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.0730 1.3190 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.1620 -0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6280 -0.7670 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -0.5790 -0.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7960 -0.5190 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.4460 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 1.9950 0.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 2.5910 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 2.7320 1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -1.8890 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.8130 -0.2830 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -4.0190 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -3.0120 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -0.3090 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.6630 1.1430 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.4960 2.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 0.3260 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.4500 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 1.8780 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 0.2790 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 0.4830 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -1.9930 -0.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3490 -2.0360 0.6580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 23 -1 M END